CID 135511142

Schembl13754896

Structural Information

Molecular Formula
C17H15F2NO4
SMILES
CCOC(=O)/C(=C/C1=NC=C(C=C1)OCC2=C(C=C(C=C2)F)F)/O
InChI
InChI=1S/C17H15F2NO4/c1-2-23-17(22)16(21)8-13-5-6-14(9-20-13)24-10-11-3-4-12(18)7-15(11)19/h3-9,21H,2,10H2,1H3/b16-8-
InChIKey
ODXDEMCQFRDGHZ-PXNMLYILSA-N
Compound name
ethyl (Z)-3-[5-[(2,4-difluorophenyl)methoxy]pyridin-2-yl]-2-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.09692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10420 174.6
[M+Na]+ 358.08614 182.1
[M-H]- 334.08964 176.1
[M+NH4]+ 353.13074 186.0
[M+K]+ 374.06008 177.8
[M+H-H2O]+ 318.09418 164.1
[M+HCOO]- 380.09512 192.2
[M+CH3COO]- 394.11077 207.0
[M+Na-2H]- 356.07159 174.9
[M]+ 335.09637 175.2
[M]- 335.09747 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe